SCHEMBL8213614

SCHEMBL8213614

O=C(/C=C/c1ccccc1O)Nc1c(O)cccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
BCHE P06276 1/20 0.53
GUSB P08236 1/20 0.53
TRPA1 O75762 2/20 0.52
TRPM8 Q7Z2W7 2/20 0.52
CHRNA7 P36544 4/20 0.50
JUN P05412 1/20 0.50
NFE2L2 Q16236 1/20 0.50
LTB4R Q15722 2/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
PTPN11 Q06124 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
NPC1 O15118 2/20 0.45
MAOB P27338 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14801934 1.00 NFKB1 (0.53) NFKB1CA1CA2CA4BCHE
SCHEMBL14801687 0.87 MMP1 (0.61) BCHETRPA1TRPM8LTB4RMAPT
SCHEMBL14801681 0.87 MMP1 (0.61) BCHETRPA1TRPM8LTB4RMAPT
SCHEMBL2779546 0.84 TRPA1 (0.72) NFKB1CA1CA2CA4BCHE
SCHEMBL2779548 0.84 TRPA1 (0.72) NFKB1CA1CA2CA4BCHE
SCHEMBL29913624 0.82 MMP1 (0.59) TRPA1TRPM8LTB4RMAPTMMP1
SCHEMBL14801853 0.82 MMP1 (0.59) TRPA1TRPM8LTB4RMAPTMMP1
SCHEMBL19858953 0.82 MMP1 (0.59) TRPA1TRPM8LTB4RMAPTMMP1
SCHEMBL14801947 0.81 TRPM8 (0.58) NFKB1BCHETRPA1TRPM8NFE2L2
SCHEMBL14801990 0.81 MMP1 (0.65) MMP1MMP2MMP9MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280441-B2 Host cells and methods for producing cinnamoyl anthranilate and analogs thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-05-07 US disclosed
US-20130078683-A1 Host Cells and Methods for Producing Cinnamoyl Anthranilate and Analogs Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-28 US disclosed
US-6117365-A N-(3,4-DIHYDROXYBENZYL)-3,5-DIMETHOXY-4-HYDROXY-E-CINNAMIDE, FOR EXAMPLE; USE AS ANTIOXIDANTS OR AS FREE-RADICAL SCAVENGERS, IN PARTICULAR IN THE COSMETIC OR DERMATOLOGICAL FIELDS, AND IN FOODS HAARMANN & REIMER GMBH (DE) 2000-09-12 US disclosed